1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine

C29H30N6 — CID 3649106

IUPAC1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine
SMILESC(=Nc1nc2ccccc2n1CCN1CCCCC1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C29H30N6/c1-3-11-23(12-4-1)22-35-27-16-8-5-13-24(27)31-28(35)21-30-29-32-25-14-6-7-15-26(25)34(29)20-19-33-17-9-2-10-18-33/h1,3-8,11-16,21H,2,9-10,17-20,22H2
InChIKeyUESBCNZGWYWJSZ-UHFFFAOYSA-N
MW462.60 g/mol
LogP5.67
Rot. Bonds7

About 1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine

1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine (PubChem CID 3649106) has the molecular formula C29H30N6 and a molecular weight of 462.60 g/mol. Its IUPAC name is 1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine.

Molecular Properties

Compound Name1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine
PubChem CID3649106
Molecular FormulaC29H30N6
Molecular Weight462.60 g/mol
Exact Mass462.25
IUPAC Name1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine
SMILESC(=Nc1nc2ccccc2n1CCN1CCCCC1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C29H30N6/c1-3-11-23(12-4-1)22-35-27-16-8-5-13-24(27)31-28(35)21-30-29-32-25-14-6-7-15-26(25)34(29)20-19-33-17-9-2-10-18-33/h1,3-8,11-16,21H,2,9-10,17-20,22H2
InChIKeyUESBCNZGWYWJSZ-UHFFFAOYSA-N
XLogP5.67
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrophenyl)-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methanimine
CID 3731682
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 10454082
2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine
CID 1212470
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272032
1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
CID 3805871
2-[(E)-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]iminomethyl]-6-nitrophenol
CID 135683959
1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
CID 44888796
1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
CID 1215311
2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18885630
[(Z)-(1-benzylbenzimidazol-2-yl)methylideneamino]thiourea
CID 5404540
2-[(E)-(1-benzylbenzimidazol-2-yl)iminomethyl]-4-bromophenol
CID 135572140

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine?
The IUPAC name of 1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine (CID 3649106) is 1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine.
What is the SMILES notation for 1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine?
The canonical SMILES for 1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine is C(=Nc1nc2ccccc2n1CCN1CCCCC1)c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine?
The InChIKey is UESBCNZGWYWJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6/c1-3-11-23(12-4-1)22-35-27-16-8-5-13-24(27)31-28(35)21-30-29-32-25-14-6-7-15-26(25)34(29)20-19-33-17-9-2-10-18-33/h1,3-8,11-16,21H,2,9-10,17-20,22H2.
What are the key properties of 1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine?
1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine has a molecular weight of 462.60 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylbenzimidazol-2-yl)-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methanimine is sourced from PubChem (CID 3649106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).